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The thesis deals with the development of transition metal-catalyzed difunctionalization of alkenes and alkynes, which can be categorized into two major topics: (1) palladium-catalyzed diamination of alkynes for the synthesis of tetracycles; (2) copper-cata ...
Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels. Femtosecond elastic second harmonic scattering (fs-ESHS) is used here to assess the chemical effects of ions on molecular and nanoscopic length ...
In this Article, we examine the hydration structure of dibenzo-18-crown-6 (DB18C6) complexes with K+, Rb+, and Cs+ ion in the gas phase. We measure well-resolved UV photodissociation (UVPD) spectra of K+·DB18C6·(H2O)n, Rb+·DB18C6·(H2O)n, and Cs+·DB18C6·(H2 ...
Thermodynamic modeling is a versatile tool for predicting the chemical composition cement during the hydration of cement. The quality of the thermodynamic modeling depends directly on the quality and completeness of thermodynamic database used. One of the ...
The modeling platform µic has been extended to study the hydration of cement based systems. It is shown that the hydration kinetics of alite can be described through the implementation of two mechanisms: a solution controlled dissolution (SCD) mechanism fo ...
Tricalcium aluminate (C3A) is one of the main constituents of Portland cement. Even though it represents less than 10% of the total composition, its strong reaction with water can lead to a rapid setting, called flash set. Gypsum is added to regulate this ...
An important microstructural aspect of the early hydration of Portland cement (K) is the formation of a shell of hydration products around cement grains. There is, at present, limited information on the mechanism of formation of the shell and of the chemis ...
The base-catalyzed intramolecular hydroamination of 1-ethylaminocyclohexa-2,5-dienes is described. The transformation proceeds through isomerization of the cyclohexa-1,4-dienyl fragment into the corresponding conjugated 1,3-diene prior to the hydroaminatio ...
This paper is a keynote presentation from the 13th International Congress on the Chemistry of Cement. It discusses the underlying principles of hydration and recent evidence for the mechanisms governing this process in both Portland cements and other cemen ...
The motion of the excess proton is understood as a process involving interconversion between two limiting states, namely, the Eigen and Zundel cations. Nuclear quantum effects (NQE) and the organization of the surrounding solvent play a significant role in ...